2-[[5-ethyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-ethyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-(2-methoxy-2-oxo-ethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(2-methoxy-2-oxoethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(2-methoxy-2-oxoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-(2-keto-2-methoxy-ethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C9H12N3O4S- MolecularWeight: 258.27428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC(=O)OC)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CC(=O)OC)SCC(=O)[O-]

InChI

InChI=1S/C9H13N3O4S/c1-3-6-10-11-9(17-5-7(13)14)12(6)4-8(15)16-2/h3-5H2,1-2H3,(H,13,14)/p-1